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(2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID

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(2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID
SpectraBase Compound ID L8aGLpA0f21
InChI InChI=1S/C11H18O3S2/c1-9(12)3-5-11(6-4-10(13)14)15-7-2-8-16-11/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,13,14)/b6-4+/t9-/m1/s1
InChIKey JXMYDZJIVWZCLX-OTQAPUNGSA-N
Mol Weight 262.38 g/mol
Molecular Formula C11H18O3S2
Exact Mass 262.069737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgSlGscrPdp
Name (2E,7S)-7-HYDROXY-4,4-TRIMETHYLENEDITHIO-2-OCTENOIC-ACID
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18O3S2
InChI InChI=1S/C11H18O3S2/c1-9(12)3-5-11(6-4-10(13)14)15-7-2-8-16-11/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,13,14)/b6-4+/t9-/m1/s1
InChIKey JXMYDZJIVWZCLX-OTQAPUNGSA-N
Literature Reference Author B.SEURING,D.SEEBACH
Literature Reference Citation LIEB.ANN.CHEM.,2044(1978)
Molecular Weight 262.382 g/mol
Solvent CDCl3
Source File Reference UWCS11513